==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 24-AUG-92 1ABI . COMPND 2 MOLECULE: ALPHA-THROMBIN (SMALL SUBUNIT); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.QIU,A.TULINSKY . 305 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12919.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 60.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 25.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 21 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 1 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 4 0 4 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1EL S 0 0 58 0, 0.0 2,-4.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -95.7 15.2 15.1 24.9 2 1DL G - 0 0 10 152,-0.7 2,-0.2 2,-0.1 5,-0.2 -0.082 360.0 -13.5 -42.3 47.8 16.3 12.7 22.1 3 1CL E S S- 0 0 74 -2,-4.9 150,-0.1 3,-0.1 65,-0.1 -0.833 86.8 -94.8 152.8-112.4 15.7 15.5 19.6 4 1BL A S S+ 0 0 74 -2,-0.2 -2,-0.1 147,-0.1 149,-0.0 0.033 119.6 28.2-166.5 -40.9 13.7 18.9 20.1 5 1AL D S > S+ 0 0 75 147,-0.1 3,-1.4 -4,-0.1 148,-0.1 0.152 101.1 152.4-117.6 16.9 10.1 18.5 19.0 6 1 L a T 3 + 0 0 0 1,-0.2 146,-0.2 -5,-0.2 -3,-0.1 -0.040 54.6 10.1 -52.6 141.3 10.9 14.9 20.0 7 2 L G T 3 S+ 0 0 0 144,-2.4 240,-1.1 -5,-0.2 2,-0.6 0.527 90.9 118.4 62.6 17.6 8.1 12.6 21.3 8 3 L L < - 0 0 34 -3,-1.4 -1,-0.2 143,-0.2 238,-0.1 -0.946 58.8-144.3-114.2 100.8 5.2 15.0 20.3 9 4 L R > > - 0 0 0 -2,-0.6 5,-2.3 1,-0.1 3,-1.3 -0.611 7.3-142.0 -76.3 130.8 3.2 13.0 17.8 10 5 L P T 3 5S+ 0 0 16 0, 0.0 -1,-0.1 0, 0.0 137,-0.1 0.830 101.0 45.5 -55.7 -40.1 1.6 14.9 14.9 11 6 L L T 3 5S+ 0 0 36 136,-0.4 34,-0.1 33,-0.4 136,-0.0 0.413 131.9 13.5 -90.7 4.5 -1.6 12.8 14.9 12 7 L F T X>>S+ 0 0 14 -3,-1.3 5,-2.2 32,-0.1 3,-1.8 0.356 129.1 31.8-135.3 -86.5 -2.1 12.9 18.7 13 8 L E G >45S+ 0 0 23 1,-0.3 3,-2.3 2,-0.2 -5,-0.1 0.899 117.3 54.8 -45.8 -60.6 -0.1 15.3 20.9 14 9 L K G 34 - 0 0 3 -2,-0.3 4,-0.5 26,-0.1 3,-0.2 -0.365 34.7 -96.5 -81.4 163.7 -4.6 7.2 21.5 20 14AL K T 4 S+ 0 0 163 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.721 115.5 20.2 -57.4 -26.4 -6.8 4.3 22.4 21 14BL T T >> S+ 0 0 51 2,-0.1 3,-2.1 1,-0.1 4,-0.8 0.466 88.1 101.5-123.3 -2.4 -4.6 2.9 25.2 22 14CL E H >> S+ 0 0 3 1,-0.3 4,-1.8 -3,-0.2 3,-0.9 0.810 77.3 65.1 -52.6 -33.6 -2.3 5.7 26.3 23 14DL R H 3X S+ 0 0 147 -4,-0.5 4,-2.5 1,-0.2 -1,-0.3 0.791 93.0 63.5 -56.7 -30.1 -4.6 6.3 29.4 24 14EL E H <> S+ 0 0 56 -3,-2.1 4,-0.6 2,-0.2 -1,-0.2 0.884 105.3 44.7 -59.0 -42.6 -3.5 2.8 30.6 25 14FL L H XX S+ 0 0 0 -3,-0.9 3,-2.0 -4,-0.8 4,-0.8 0.991 112.7 49.9 -63.3 -61.2 0.1 3.9 30.8 26 14GL L H >< S+ 0 0 20 -4,-1.8 6,-1.4 1,-0.3 3,-0.8 0.844 106.7 54.8 -55.1 -38.8 -0.7 7.2 32.6 27 14HL E H 3X S+ 0 0 76 -4,-2.5 4,-0.5 4,-0.2 3,-0.5 0.723 103.1 58.2 -66.9 -15.2 -2.9 5.5 35.2 28 14IL S H << S+ 0 0 22 -3,-2.0 -1,-0.2 -4,-0.6 -2,-0.2 0.704 91.7 67.6 -83.9 -20.5 -0.0 3.2 36.1 29 14JL Y T << S- 0 0 12 -4,-0.8 -1,-0.2 -3,-0.8 -2,-0.1 -0.155 136.5 -86.8 -89.3 28.6 2.2 6.2 37.0 30 14KL I T 4 S- 0 0 138 -3,-0.5 -2,-0.2 1,-0.1 -3,-0.2 0.927 91.5 -43.5 51.4 59.6 -0.2 6.6 39.9 31 14LL D S < S- 0 0 103 -4,-0.5 -4,-0.2 -5,-0.4 -5,-0.1 0.941 85.0-129.0 48.4 102.0 -2.4 8.7 37.6 32 14ML G 0 0 26 -6,-1.4 211,-0.0 1,-0.2 209,-0.0 0.903 360.0 360.0 -30.0-139.5 -0.3 11.1 35.6 33 15 L R 0 0 247 208,-0.1 -1,-0.2 0, 0.0 210,-0.1 -0.575 360.0 360.0 -62.7 360.0 -0.2 14.8 34.8 34 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 35 16 H I 0 0 0 0, 0.0 2,-0.6 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 134.2 4.2 -9.0 19.5 36 17 H V B -A 227 0A 9 191,-2.6 191,-1.1 1,-0.2 143,-0.1 -0.892 360.0 -1.4-108.7 110.5 2.1 -11.6 21.5 37 18 H E S S+ 0 0 125 -2,-0.6 -1,-0.2 141,-0.4 188,-0.2 0.800 100.4 134.4 78.6 31.9 -1.4 -10.5 22.7 38 19 H G - 0 0 20 -3,-0.3 2,-0.3 153,-0.1 153,-0.2 -0.361 49.1-126.8-101.8 174.6 -1.0 -7.1 21.3 39 20 H S E -B 190 0B 76 151,-3.0 151,-2.4 -2,-0.2 2,-0.2 -0.730 36.9 -81.5-120.1 170.9 -3.4 -5.0 19.2 40 21 H D E -B 189 0B 104 -2,-0.3 149,-0.3 149,-0.2 2,-0.2 -0.572 46.6-117.3 -78.4 142.6 -3.1 -3.2 15.9 41 22 H A - 0 0 6 147,-3.0 2,-0.2 -2,-0.2 147,-0.1 -0.485 26.1-125.5 -69.1 146.6 -1.4 0.1 16.1 42 23 H E > - 0 0 36 -2,-0.2 3,-1.2 1,-0.1 4,-0.2 -0.495 46.5 -76.7 -82.3 165.3 -3.6 3.1 15.0 43 24 H I T 3 S+ 0 0 90 1,-0.2 -1,-0.1 -2,-0.2 57,-0.1 -0.432 116.0 7.3 -71.4 133.7 -2.0 5.3 12.3 44 25 H G T 3 S+ 0 0 11 -2,-0.2 -33,-0.4 104,-0.1 -1,-0.2 0.617 90.6 124.2 68.3 18.5 0.7 7.7 13.5 45 26 H M S < S+ 0 0 5 -3,-1.2 -2,-0.1 1,-0.3 -36,-0.1 0.782 84.2 19.9 -77.9 -25.5 0.7 6.1 17.0 46 27 H S S > S+ 0 0 13 -4,-0.2 3,-1.9 102,-0.1 -1,-0.3 -0.667 70.5 169.6-146.9 73.6 4.5 5.3 17.0 47 28 H P T 3 S+ 0 0 1 0, 0.0 103,-2.7 0, 0.0 99,-0.1 0.331 74.3 61.6 -70.0 -7.4 6.0 7.6 14.3 48 29 H W T 3 S+ 0 0 2 101,-0.2 18,-1.8 103,-0.1 2,-0.2 0.300 76.5 124.0 -93.9 -6.4 9.6 6.8 15.4 49 30 H Q E < -K 65 0C 6 -3,-1.9 49,-1.0 16,-0.2 50,-0.4 -0.394 43.3-168.8 -66.6 130.0 9.0 3.1 14.5 50 31 H V E -KL 64 97C 0 14,-1.7 14,-0.8 -2,-0.2 2,-0.5 -0.908 18.6-138.3-118.1 152.2 11.6 1.8 12.0 51 32 H M E -KL 63 96C 0 45,-2.3 45,-2.0 -2,-0.3 2,-0.9 -0.939 9.5-150.7-111.9 125.2 11.9 -1.4 9.9 52 33 H L E -KL 62 95C 0 10,-3.6 9,-4.3 -2,-0.5 10,-0.8 -0.873 30.3-171.4 -94.5 111.3 15.3 -3.0 9.6 53 34 H F E -KL 60 94C 0 41,-2.6 41,-3.1 -2,-0.9 2,-0.3 -0.920 21.4-128.6-117.9 131.6 15.0 -4.6 6.2 54 35 H R E > -KL 59 93C 72 5,-3.6 5,-0.9 -2,-0.5 39,-0.2 -0.592 7.8-146.1 -80.9 132.9 17.3 -7.0 4.3 55 36 H K E 5S+K 58 0C 65 37,-1.9 3,-0.3 -2,-0.3 -1,-0.1 0.874 83.8 32.1 -65.2 -41.2 18.3 -6.1 0.7 56 36AH S T 5S+ 0 0 101 1,-0.6 -1,-0.2 36,-0.3 2,-0.2 -0.743 122.8 31.2-173.8 117.1 18.3 -9.8 -0.4 57 37 H P T 5S- 0 0 65 0, 0.0 -1,-0.6 0, 0.0 2,-0.4 0.489 104.1-130.6 -55.9 142.4 16.6 -11.9 0.6 58 38 H Q E 5 +K 55 0C 38 -3,-0.3 2,-0.3 -2,-0.2 242,-0.2 -0.675 54.3 147.3 -67.7 120.4 14.3 -8.9 1.0 59 39 H E E < -K 54 0C 36 -5,-0.9 -5,-3.6 -2,-0.4 237,-0.2 -0.937 58.3 -99.0-165.9 145.6 13.2 -9.6 4.6 60 40 H L E +K 53 0C 4 235,-2.2 234,-0.8 -2,-0.3 -7,-0.2 -0.507 39.7 172.9 -64.2 128.5 12.2 -8.1 7.9 61 41 H L E - 0 0 9 -9,-4.3 233,-0.4 1,-0.4 2,-0.3 0.834 51.5 -48.8 -98.6 -63.8 15.3 -8.1 10.0 62 42 H b E -K 52 0C 0 -10,-0.8 -10,-3.6 231,-0.2 -1,-0.4 -0.932 53.9 -87.4-160.2-178.3 14.4 -6.2 13.2 63 43 H G E +K 51 0C 3 170,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.466 39.6 171.5 -95.1 170.4 12.8 -3.1 14.6 64 44 H A E -K 50 0C 0 -14,-0.8 -14,-1.7 -2,-0.2 2,-0.3 -0.814 22.0-124.4-165.0-177.0 14.7 0.1 15.3 65 45 H S E -KM 49 73C 0 8,-1.1 8,-2.3 -2,-0.3 2,-0.6 -0.986 14.2-121.2-149.3 146.3 13.7 3.7 16.3 66 46 H L E + M 0 72C 0 -18,-1.8 86,-2.2 -2,-0.3 6,-0.2 -0.875 31.1 167.2 -90.7 117.7 14.2 7.2 14.9 67 47 H I S S- 0 0 5 4,-2.0 2,-0.2 -2,-0.6 87,-0.2 0.479 70.5 -10.0-107.4 -7.9 16.0 9.4 17.5 68 48 H S S S- 0 0 18 3,-1.0 75,-0.1 -65,-0.1 -1,-0.1 -0.874 88.2 -77.4-165.2-170.8 16.8 12.3 15.0 69 49 H D S S+ 0 0 55 -2,-0.2 74,-3.0 1,-0.2 72,-0.1 0.762 128.8 24.0 -80.7 -12.9 16.6 13.1 11.3 70 50 H R S S+ 0 0 43 72,-0.2 69,-3.4 68,-0.1 2,-0.4 0.390 109.1 78.7-124.9 -2.1 19.9 11.0 10.6 71 51 H W E - N 0 138C 2 67,-0.2 -4,-2.0 65,-0.0 -3,-1.0 -0.948 48.8-168.9-122.5 138.1 20.2 8.5 13.5 72 52 H V E -MN 66 137C 0 65,-3.5 65,-2.2 -2,-0.4 2,-0.4 -0.973 10.4-148.8-125.2 140.8 18.6 5.2 14.3 73 53 H L E +MN 65 136C 0 -8,-2.3 -8,-1.1 -2,-0.4 2,-0.2 -0.888 30.8 144.4-110.2 130.3 18.7 3.1 17.5 74 54 H T E - N 0 135C 0 61,-2.6 61,-2.0 -2,-0.4 2,-0.4 -0.781 51.9 -81.2-146.7 179.3 18.5 -0.7 17.5 75 55 H A > - 0 0 0 -12,-0.4 3,-1.9 59,-0.3 4,-0.3 -0.843 31.5-132.2 -91.3 133.8 19.9 -3.7 19.4 76 56 H A G >> S+ 0 0 0 -2,-0.4 4,-2.6 1,-0.3 3,-1.9 0.784 103.9 72.3 -56.3 -37.0 23.4 -4.9 18.4 77 57 H H G 34 S+ 0 0 0 1,-0.3 -1,-0.3 2,-0.2 156,-0.0 0.721 88.0 65.1 -58.3 -9.3 22.1 -8.4 18.3 78 58 H b G <4 S+ 0 0 0 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.815 116.0 25.2 -80.8 -24.1 20.3 -7.3 15.0 79 59 H L T <4 S+ 0 0 0 -3,-1.9 9,-2.4 -4,-0.3 2,-0.4 0.833 127.9 33.2-104.9 -38.4 23.7 -6.7 13.3 80 60 H L E < +Q 87 0D 40 -4,-2.6 -1,-0.3 7,-0.2 7,-0.2 -0.989 52.0 138.7-135.7 119.5 26.2 -9.0 15.0 81 60AH Y E > > -Q 86 0D 20 5,-3.0 5,-2.2 -2,-0.4 3,-2.0 -0.574 23.1-174.8-157.4 78.5 25.6 -12.4 16.5 82 60BH P G > 5S+ 0 0 44 0, 0.0 3,-2.1 0, 0.0 5,-0.1 0.751 76.9 67.0 -54.0 -33.9 28.6 -14.6 15.6 83 60CH P G 3 5S+ 0 0 74 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.602 112.2 38.9 -65.0 -9.2 27.3 -17.9 17.1 84 60DH W G < 5S- 0 0 141 -3,-2.0 3,-0.1 2,-0.2 0, 0.0 0.201 118.3-113.1-123.6 12.7 24.7 -17.6 14.4 85 60EH D T < 5 + 0 0 158 -3,-2.1 2,-0.6 1,-0.2 -5,-0.0 0.742 66.2 150.4 61.2 27.2 27.1 -16.3 11.8 86 60FH K E < +Q 81 0D 28 -5,-2.2 -5,-3.0 1,-0.1 -1,-0.2 -0.875 2.6 142.0 -94.7 119.6 25.2 -12.9 11.8 87 60GH N E -Q 80 0D 116 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.2 -0.444 27.0-171.9-157.4 70.0 27.5 -10.0 10.9 88 60HH F - 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